| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA162228
Max Phase: Preclinical
Molecular Formula: C17H14O5
Molecular Weight: 298.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1c(-c2ccc(O)cc2)oc2cccc(OC)c2c1=O
Standard InChI: InChI=1S/C17H14O5/c1-20-12-4-3-5-13-14(12)15(19)17(21-2)16(22-13)10-6-8-11(18)9-7-10/h3-9,18H,1-2H3
Standard InChI Key: ROFQUNWTHFYWMD-UHFFFAOYSA-N
Associated Targets(non-human)
Enterovirus C 520 Activities
Vero 26788 Activities
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Human rhinovirus sp. 1587 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 298.29 | Molecular Weight (Monoisotopic): 298.0841 | AlogP: 3.18 | #Rotatable Bonds: 3 |
| Polar Surface Area: 68.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.55 | CX Basic pKa: | CX LogP: 2.37 | CX LogD: 2.34 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: 0.99 |
References
| 1. De Meyer N, Haemers A, Mishra L, Pandey HK, Pieters LA, Vanden Berghe DA, Vlietinck AJ.. (1991) 4'-Hydroxy-3-methoxyflavones with potent antipicornavirus activity., 34 (2): [PMID:1847431] [10.1021/jm00106a039] |
Source
Source(1):